General Information of the Compound
| Compound ID |
CP0560880
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| Compound Name |
US9340500, I-015
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| Structure |
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| Formula |
C28H31F3N4O2
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| Molecular Weight |
512.576
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| Canonical SMILES |
CC(=O)N1CCN(CCCn2c(C)c(cc2-c2ccccc2)C(=O)Nc2cccc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C28H31F3N4O2/c1-20-25(27(37)32-24-11-6-10-23(18-24)28(29,30)31)19-26(22-8-4-3-5-9-22)35(20)13-7-12-33-14-16-34(17-15-33)21(2)36/h3-6,8-11,18-19H,7,12-17H2,1-2H3,(H,32,37)
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| InChIKey |
NIXGQFQHUDJIRJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound